![4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid structure](/static/products/3646/364620-26-8.webp)
4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid
TL;DR: 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid (CAS 364620-26-8) is a chemical compound with molecular formula C20H17N3O9 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid
Also Known As: A2906/0122477, 4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid, 4,5-dimethoxy-2-{[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoic acid, 4,5-dimethoxy-2-(3-(5-nitro-1,3-dioxoisoindolin-2-yl)propanamido)benzoic acid, 4,5-DIMETHOXY-2-[3-(5-NITRO-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PROPANAMIDO]BENZOIC ACID
| Molecular Formula | C20H17N3O9 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 1.935 |
| Topological Polar Surface Area | 165.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.09647 |
| Heavy Atoms | 32 |
| Complexity | 1159.2449 |
Chemical Identifiers
| CAS Number | 364620-26-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid (CAS 364620-26-8), with molecular formula C20H17N3O9 and molecular weight 443.10 g/mol. IUPAC: 4,5-dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid
Property Insights of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid
The XLogP value of 1.935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid. The TPSA of 165.38 Ų indicates high polarity, suggesting 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid?
The CAS number of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid is 364620-26-8.
What is the molecular formula of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid is C20H17N3O9.
What is the molecular weight of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid is 443.10 g/mol.
Where can I buy 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid?
You can request a quote for 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.